CID 103786

1,2-bis(4-fluorophenyl)-2-hydroxyethanone

Structural Information

Molecular Formula
C14H10F2O2
SMILES
C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)F)O)F
InChI
InChI=1S/C14H10F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13,17H
InChIKey
VGZHWXAFILGMSR-UHFFFAOYSA-N
Compound name
1,2-bis(4-fluorophenyl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

248.06488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.072156 151.1
[M+Na]+ 271.054098 159.0
[M-H]- 247.057604 154.2
[M+NH4]+ 266.098703 167.4
[M+K]+ 287.028038 154.8
[M+H-H2O]+ 231.062140 142.5
[M+HCOO]- 293.063081 170.5
[M+CH3COO]- 307.078731 192.1
[M+Na-2H]- 269.039546 153.7
[M]+ 248.06433142 147.9
[M]- 248.06542858 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe